REMARK  Name = BDB052861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.466  -2.960   3.183  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -1.362  -2.400   1.856  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -1.727  -2.974   0.698  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.611  -2.259  -0.371  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -1.051  -0.923   0.064  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -0.966  -1.118   1.601  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -0.625  -0.300   2.447  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.323  -0.720  -0.606  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1        1.413  -0.124   0.054  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        2.638   0.063  -0.599  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        2.790  -0.332  -1.928  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.719  -0.908  -2.606  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.499  -1.095  -1.954  0.00  0.00    +0.007 A 
BRANCH  10  14
ATOM     14  C   LIG    1        3.733   0.665   0.096  0.00  0.00    -0.066 C 
ATOM     15  C   LIG    1        4.652   1.170   0.682  0.00  0.00    -0.094 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.746   1.776   1.383  0.00  0.00    +0.064 C 
ATOM     17  C   LIG    1        6.394   1.016   2.510  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        7.125   1.196   1.212  0.00  0.00    +0.017 C 
ENDBRANCH  15  16
ENDBRANCH  10  14
ENDBRANCH   5   8
BRANCH   5  19
ATOM     19  C   LIG    1       -2.012   0.227  -0.297  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.809   1.524   0.205  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.670   2.571  -0.138  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.755   2.353  -0.985  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -3.956   1.080  -1.515  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.094   0.031  -1.173  0.00  0.00    +0.010 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -4.519   3.457  -1.240  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.825   3.208  -1.730  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1       -6.513   4.377  -1.663  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -5.755   2.877  -3.043  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   5  19
BRANCH   3  29
ATOM     29  N   LIG    1       -2.192  -4.245   0.647  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1       -1.787  -4.898   1.304  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -2.208  -4.606  -0.302  0.00  0.00    +0.145 HD
ENDBRANCH   3  29
TORSDOF 7